| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSSVSASVGDRVTITCRASRRISNWVAWYQQQPGKAPKLLIYAASSLQRGVPSRFTGSGYGTDFTLTISSLQPEDSATYYCQQTNSLLALTFGGGTKVEIK B: QVQLVQSGAEVKKPGASVKVSCKTSGFSFTSYDVNWVRQATGQGLEWMGWMNVNSGKTAYAEKFQGRVTVTRNTSINTAYMELSSLRSEDTAVYYCARVGYSHGDSDYWGQGTLVTVSSA input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/223701c505692/tmp/folded.pdb (00:11:50)
[INFO] Main: Simulation completed successfully. (00:22:42)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | K | A | -2.5789 | |
| 2 | K | A | -2.9034 | |
| 3 | P | A | -1.9765 | |
| 4 | A | A | -1.9759 | |
| 5 | K | A | -2.5306 | |
| 6 | P | A | -2.1412 | |
| 7 | K | A | -2.0805 | |
| 8 | C | A | -0.6340 | |
| 9 | P | A | -0.2895 | |
| 10 | A | A | 0.2609 | |
| 11 | V | A | 0.4403 | |
| 12 | C | A | 0.2879 | |
| 13 | T | A | 0.3556 | |
| 14 | C | A | -0.3124 | |
| 15 | T | A | -0.7631 | |
| 16 | K | A | -2.1245 | |
| 17 | D | A | -1.4763 | |
| 18 | N | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.4041 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -0.5910 | |
| 23 | N | A | -1.4449 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.2341 | |
| 26 | S | A | -1.5089 | |
| 27 | I | A | -0.8826 | |
| 28 | P | A | -0.8630 | |
| 29 | R | A | -1.4297 | |
| 30 | T | A | -1.1273 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.9748 | |
| 34 | D | A | -2.0683 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.7361 | |
| 37 | S | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | R | A | -0.8852 | |
| 43 | S | A | -1.2197 | |
| 44 | G | A | -1.7842 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.5463 | |
| 47 | E | A | -1.6881 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5185 | |
| 50 | E | A | -2.0464 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | -0.3977 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.4025 | |
| 55 | F | A | 0.8718 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.0053 | |
| 58 | S | A | -0.6937 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.6435 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | S | A | -0.4454 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.2202 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.7686 | |
| 71 | V | A | -1.0170 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.5918 | |
| 74 | D | A | -2.1003 | |
| 75 | D | A | -1.8060 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.0869 | |
| 79 | G | A | 0.1627 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1679 | |
| 82 | H | A | -1.5835 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.9830 | |
| 85 | Y | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | 0.0000 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -1.5858 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.3599 | |
| 95 | S | A | -1.4688 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.1533 | |
| 98 | R | A | -2.3995 | |
| 99 | H | A | -2.2909 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.2696 | |
| 103 | G | A | -1.4655 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.7655 | |
| 106 | S | A | -1.6636 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | -0.8067 | |
| 109 | H | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -1.4173 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -1.7542 | |
| 119 | T | A | -1.3302 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.2966 | |
| 122 | K | A | -1.7659 | |
| 123 | D | A | -1.7122 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -2.8673 | |
| 127 | G | A | -2.6370 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8618 | |
| 130 | S | A | -1.6618 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.9037 | |
| 133 | N | A | -0.7312 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -0.7044 | |
| 138 | G | A | -0.3398 | |
| 139 | N | A | 0.0000 | |
| 140 | S | A | -1.0465 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.5450 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.6611 | |
| 145 | C | A | -1.3934 | |
| 146 | K | A | -2.0042 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.9301 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -2.2306 | |
| 153 | W | A | -1.6389 | |
| 154 | L | A | -1.0945 | |
| 155 | G | A | -1.6946 | |
| 156 | H | A | -1.8253 | |
| 157 | T | A | -1.5494 | |
| 158 | N | A | -1.8068 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.8093 | |
| 161 | V | A | -0.9790 | |
| 162 | E | A | -1.7653 | |
| 163 | D | A | -1.5661 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.0769 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -2.3970 | |
| 168 | G | A | -2.1955 | |
| 169 | P | A | -1.8259 | |
| 170 | P | A | -2.1567 | |
| 171 | E | A | -2.8109 | |
| 172 | Y | A | -2.6060 | |
| 173 | K | A | -3.6396 | |
| 174 | K | A | -3.2423 | |
| 175 | R | A | -2.5896 | |
| 176 | K | A | -1.6911 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.2672 | |
| 179 | S | A | -0.7443 | |
| 180 | L | A | -1.1117 | |
| 181 | S | A | -1.5160 | |
| 182 | S | A | -2.0947 | |
| 183 | K | A | -2.6035 | |
| 184 | D | A | -2.2531 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -1.9850 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.7480 | |
| 189 | I | A | 1.6360 | |
| 190 | T | A | 1.1636 | |
| 191 | E | A | -0.5058 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.2462 | |
| 194 | K | A | -2.3857 | |
| 195 | S | A | -1.4754 | |
| 196 | Q | A | -1.5076 | |
| 197 | D | A | -1.8873 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.8763 | |
| 200 | Y | A | -0.5469 | |
| 201 | Q | A | -0.7399 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.1751 | |
| 204 | S | A | -0.1306 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4012 | |
| 207 | T | A | -0.4002 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.7728 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.2982 | |
| 212 | N | A | -1.3988 | |
| 213 | D | A | -1.9935 | |
| 214 | E | A | -1.7051 | |
| 215 | Y | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | P | A | 0.9122 | |
| 222 | F | A | 1.8372 | |
| 223 | T | A | 0.6704 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.2167 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | -0.3946 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.8729 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -2.0287 | |
| 233 | H | A | -1.7333 | |
| 234 | V | A | -0.2788 | |
| 235 | E | A | -2.3054 | |
| 236 | K | A | -2.6217 | |
| 237 | T | A | -1.8593 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.1526 | |
| 240 | N | A | -1.8855 | |
| 241 | Y | A | -0.9954 | |
| 242 | D | A | -1.2654 | |
| 243 | N | A | -0.9682 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.3607 | |
| 246 | G | A | -0.0076 | |
| 247 | T | A | 0.5268 | |
| 248 | S | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.4319 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.1063 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -2.0511 | |
| 259 | T | A | -1.0461 | |
| 260 | Q | A | -1.2409 | |
| 261 | L | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | L | A | 1.0386 | |
| 269 | F | A | 1.9041 | |
| 270 | G | A | 0.7317 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.1716 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.7375 | |
| 276 | K | A | -0.6947 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6067 | |
| 279 | S | A | -0.2751 | |
| 280 | F | A | 1.1453 | |
| 281 | A | A | -0.1021 | |
| 282 | N | A | -1.3702 | |
| 283 | K | A | -1.8363 | |
| 284 | F | A | -1.0240 | |
| 285 | I | A | -0.5821 | |
| 286 | K | A | -1.4841 | |
| 287 | I | A | -0.5369 | |
| 288 | Q | A | -1.3575 | |
| 289 | D | A | -2.1749 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -0.9979 | |
| 292 | I | A | 1.2095 | |
| 293 | L | A | 1.5205 | |
| 294 | K | A | 0.1553 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.3269 | |
| 297 | K | A | -0.8973 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8799 | |
| 300 | D | A | -0.6059 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3259 | |
| 303 | T | A | -0.3206 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -1.9853 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -2.9628 | |
| 308 | N | A | -2.6987 | |
| 309 | N | A | -2.5092 | |
| 310 | W | A | -1.4542 | |
| 311 | Y | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | D | A | 0.0000 | |
| 317 | S | A | -1.4371 | |
| 318 | S | A | -1.5408 | |
| 319 | K | A | -1.7028 | |
| 320 | A | A | -0.5918 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | -0.0085 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.9663 | |
| 328 | W | A | -1.2051 | |
| 329 | N | A | -1.8854 | |
| 330 | G | A | -1.9720 | |
| 331 | N | A | -1.6800 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.2010 | |
| 335 | S | A | -0.2151 | |
| 336 | H | A | -0.2343 | |
| 337 | Q | A | -0.2342 | |
| 338 | S | A | -0.2297 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.3117 | |
| 342 | W | A | 0.5138 | |
| 343 | Y | A | -0.3506 | |
| 344 | R | A | -2.0432 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.2319 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.9542 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.6141 | |
| 355 | R | A | -0.9342 | |
| 356 | T | A | -0.7106 | |
| 357 | P | A | -0.7622 | |
| 358 | Q | A | -1.1970 | |
| 359 | T | A | -0.2884 | |
| 360 | L | A | 0.3149 | |
| 361 | R | A | -1.2254 | |
| 362 | T | A | -1.0428 | |
| 363 | P | A | -0.8296 | |
| 364 | H | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | S | A | -1.7248 | |
| 371 | S | A | -2.1647 | |
| 372 | Q | A | -2.9251 | |
| 373 | R | A | -3.6244 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.2278 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.3796 | |
| 381 | K | A | -2.0964 | |
| 382 | A | A | -0.9187 | |
| 383 | T | A | -0.6357 | |
| 384 | Q | A | -0.8447 | |
| 385 | L | A | -0.3397 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0702 | |
| 388 | N | A | -1.9494 | |
| 389 | Q | A | -2.1327 | |
| 390 | T | A | -1.7115 | |
| 391 | D | A | -2.1069 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -1.9698 | |
| 394 | N | A | -2.6285 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.8425 | |
| 397 | D | A | -2.9372 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.5330 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4641 | |
| 403 | H | A | -0.5974 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0397 | |
| 406 | V | A | -1.2565 | |
| 407 | K | A | -2.0645 | |
| 408 | G | A | -1.5941 | |
| 409 | D | A | -1.5248 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | C | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | R | A | -0.3024 | |
| 417 | F | A | 0.7224 | |
| 418 | I | A | 0.7916 | |
| 419 | G | A | -0.3622 | |
| 420 | D | A | -0.9852 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.5503 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.3124 | |
| 428 | G | A | -0.9208 | |
| 429 | S | A | -0.6958 | |
| 430 | S | A | -1.0525 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.3526 | |
| 433 | D | A | -2.7734 | |
| 434 | I | A | -1.4005 | |
| 435 | Q | A | -1.7249 | |
| 436 | R | A | -2.3987 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -0.9346 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.5361 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2584 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3551 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.5951 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.2637 | |
| 452 | N | A | -1.9156 | |
| 453 | Y | A | -1.0225 | |
| 454 | Q | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | I | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | D | A | -0.2242 | |
| 462 | Y | A | 0.7301 | |
| 463 | S | A | 0.1328 | |
| 464 | F | A | 0.2440 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9404 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5954 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6201 | |
| 472 | A | A | -1.7946 | |
| 473 | E | A | -2.7928 | |
| 474 | K | A | -2.7703 | |
| 475 | A | A | -1.5863 | |
| 476 | K | A | -1.5831 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.6616 | |
| 479 | K | A | -1.5923 | |
| 480 | F | A | -0.8389 | |
| 481 | Q | A | -1.3069 | |
| 482 | E | A | -2.0223 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.7167 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.8852 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.4300 | |
| 490 | S | A | -0.1165 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2380 | |
| 493 | H | A | -0.5499 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.4768 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.6327 | |
| 498 | K | A | -2.9783 | |
| 499 | R | A | -2.2911 | |
| 500 | N | A | -1.5247 | |
| 501 | F | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | F | A | -0.7476 | |
| 508 | K | A | -2.1885 | |
| 509 | G | A | -1.8601 | |
| 510 | N | A | -1.8660 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -1.0091 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 0.8623 | |
| 518 | I | A | 2.4926 | |
| 519 | V | A | 1.8895 | |
| 520 | D | A | 0.7427 | |
| 521 | L | A | 0.3630 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.2109 | |
| 1 | Q | B | -1.4269 | |
| 2 | V | B | -0.7607 | |
| 3 | Q | B | -0.9458 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.1792 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5537 | |
| 8 | G | B | -0.4716 | |
| 9 | A | B | 0.2249 | |
| 10 | E | B | -0.0849 | |
| 11 | V | B | 0.9613 | |
| 12 | K | B | -0.9547 | |
| 13 | K | B | -2.1352 | |
| 14 | P | B | -2.2571 | |
| 15 | G | B | -1.6237 | |
| 16 | A | B | -1.2824 | |
| 17 | S | B | -1.4170 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.0755 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.7271 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.8951 | |
| 24 | T | B | 0.0000 | |
| 25 | S | B | -0.7342 | |
| 26 | G | B | -0.9590 | |
| 27 | F | B | -0.4123 | |
| 28 | S | B | -0.2881 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.7977 | |
| 31 | S | B | -0.4434 | |
| 32 | Y | B | -0.1448 | |
| 33 | D | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | N | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | -0.3413 | |
| 39 | Q | B | -0.5777 | |
| 40 | A | B | -0.8916 | |
| 41 | T | B | -0.7775 | |
| 42 | G | B | -1.1554 | |
| 43 | Q | B | -1.6981 | |
| 44 | G | B | -1.1129 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6623 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | M | B | 0.0000 | |
| 52 | N | B | -0.8086 | |
| 53 | V | B | 0.0000 | |
| 54 | N | B | -1.5719 | |
| 55 | S | B | -1.1537 | |
| 56 | G | B | -0.9839 | |
| 57 | K | B | -0.8131 | |
| 58 | T | B | -0.2189 | |
| 59 | A | B | 0.0000 | |
| 60 | Y | B | -0.8689 | |
| 61 | A | B | -1.8322 | |
| 62 | E | B | -3.2875 | |
| 63 | K | B | -2.9870 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -2.6010 | |
| 66 | G | B | -1.7012 | |
| 67 | R | B | -1.5598 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.7607 | |
| 70 | V | B | 0.0000 | |
| 71 | T | B | -0.7743 | |
| 72 | R | B | -1.1204 | |
| 73 | N | B | -0.7833 | |
| 74 | T | B | -0.4923 | |
| 75 | S | B | 0.2127 | |
| 76 | I | B | 0.9682 | |
| 77 | N | B | -0.5045 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.8643 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.4231 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.1792 | |
| 85 | S | B | -1.2826 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -3.1432 | |
| 88 | S | B | -2.3987 | |
| 89 | E | B | -2.5780 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.6628 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.3930 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | Y | B | 0.4177 | |
| 102 | S | B | 0.0000 | |
| 103 | H | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | D | B | 0.0000 | |
| 106 | S | B | 0.0000 | |
| 107 | D | B | -0.1989 | |
| 108 | Y | B | 0.2073 | |
| 109 | W | B | -0.2419 | |
| 110 | G | B | 0.0000 | |
| 111 | Q | B | -1.2569 | |
| 112 | G | B | -0.5460 | |
| 113 | T | B | 0.0000 | |
| 114 | L | B | 0.9104 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | -0.1210 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -0.9975 | |
| 119 | S | B | -0.9595 | |
| 120 | A | B | -0.4006 | |
| 1 | D | C | -2.4049 | |
| 2 | I | C | -1.8720 | |
| 3 | Q | C | -2.1703 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.3387 | |
| 6 | Q | C | -0.9709 | |
| 7 | S | C | -0.7607 | |
| 8 | P | C | -0.5065 | |
| 9 | S | C | -0.6695 | |
| 10 | S | C | -0.8770 | |
| 11 | V | C | -0.6840 | |
| 12 | S | C | -1.2727 | |
| 13 | A | C | -1.1613 | |
| 14 | S | C | -0.9595 | |
| 15 | V | C | -0.2211 | |
| 16 | G | C | -0.9015 | |
| 17 | D | C | -1.8280 | |
| 18 | R | C | -2.3848 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6131 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.9905 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -3.1144 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.5171 | |
| 27 | R | C | -3.5252 | |
| 28 | R | C | -3.0230 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | N | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | 0.0000 | |
| 39 | Q | C | -1.7317 | |
| 40 | P | C | -1.2726 | |
| 41 | G | C | -1.6207 | |
| 42 | K | C | -2.5565 | |
| 43 | A | C | -1.5906 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.4235 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.0000 | |
| 50 | A | C | 0.1207 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.2640 | |
| 53 | S | C | 0.0000 | |
| 54 | L | C | -0.1502 | |
| 55 | Q | C | -1.0992 | |
| 56 | R | C | -2.0379 | |
| 57 | G | C | -1.3121 | |
| 58 | V | C | -0.8654 | |
| 59 | P | C | -0.5892 | |
| 60 | S | C | -0.5725 | |
| 61 | R | C | -0.6661 | |
| 62 | F | C | 0.0000 | |
| 63 | T | C | -0.1579 | |
| 64 | G | C | 0.0000 | |
| 65 | S | C | -0.4969 | |
| 66 | G | C | -0.7787 | |
| 67 | Y | C | -0.4141 | |
| 68 | G | C | 0.0000 | |
| 69 | T | C | -2.4424 | |
| 70 | D | C | -2.8458 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.7758 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5577 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.2974 | |
| 77 | S | C | -1.1553 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.8837 | |
| 80 | P | C | -1.3392 | |
| 81 | E | C | -1.9368 | |
| 82 | D | C | 0.0000 | |
| 83 | S | C | -1.3653 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -0.8772 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | T | C | 0.0000 | |
| 92 | N | C | 0.0000 | |
| 93 | S | C | 0.0000 | |
| 94 | L | C | 0.0000 | |
| 95 | L | C | 0.1542 | |
| 96 | A | C | -0.4345 | |
| 97 | L | C | 0.0000 | |
| 98 | T | C | -0.5443 | |
| 99 | F | C | -0.2512 | |
| 100 | G | C | 0.0000 | |
| 101 | G | C | -1.0407 | |
| 102 | G | C | -0.7817 | |
| 103 | T | C | 0.0000 | |
| 104 | K | C | -1.3641 | |
| 105 | V | C | 0.0000 | |
| 106 | E | C | -2.1055 | |
| 107 | I | C | -1.4284 | |
| 108 | K | C | -1.7356 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.7091 | 4.3673 | View | CSV | PDB |
| 4.5 | -0.7505 | 4.3675 | View | CSV | PDB |
| 5.0 | -0.7992 | 4.368 | View | CSV | PDB |
| 5.5 | -0.8445 | 4.3696 | View | CSV | PDB |
| 6.0 | -0.8742 | 4.3737 | View | CSV | PDB |
| 6.5 | -0.8797 | 4.3822 | View | CSV | PDB |
| 7.0 | -0.8619 | 4.3965 | View | CSV | PDB |
| 7.5 | -0.8291 | 4.4249 | View | CSV | PDB |
| 8.0 | -0.7883 | 4.4535 | View | CSV | PDB |
| 8.5 | -0.7417 | 4.482 | View | CSV | PDB |
| 9.0 | -0.6891 | 4.5097 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine